REMARK Name = BDB039513 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.744 -0.149 -0.722 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.595 0.836 -0.353 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -2.880 0.453 -0.237 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.400 -0.819 -0.462 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -4.798 -0.739 -0.207 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -5.088 0.556 0.163 0.00 0.00 +0.088 A ATOM 7 C LIG 1 -2.508 -1.835 -0.860 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -3.917 1.276 0.136 0.00 0.00 -0.329 N ATOM 9 C LIG 1 -1.157 -1.457 -0.990 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.327 0.060 -0.667 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.778 1.270 -1.067 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.352 2.300 -1.362 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.321 1.097 -1.057 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.039 -0.175 -0.572 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.725 -0.604 -0.450 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.675 0.261 -0.831 0.00 0.00 +0.001 A ATOM 17 C LIG 1 1.009 1.556 -1.312 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.335 1.986 -1.430 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.306 -0.877 -0.220 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.593 0.915 0.712 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.443 0.671 0.359 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.386 0.867 1.212 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.614 1.248 2.120 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.073 0.496 1.030 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.272 0.576 1.961 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.734 -0.133 -0.330 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.698 0.362 -1.407 0.00 0.00 +0.041 C ATOM 28 C LIG 1 9.126 0.057 -0.984 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -3.779 2.692 0.466 0.00 0.00 +0.089 C ATOM 30 C LIG 1 -4.711 3.584 -0.364 0.00 0.00 +0.025 C ATOM 31 C LIG 1 -4.430 5.070 -0.124 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -3.913 5.378 1.283 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -4.410 4.366 2.306 0.00 0.00 +0.002 C ATOM 34 C LIG 1 -3.948 2.944 1.977 0.00 0.00 +0.025 C ENDBRANCH 8 29 BRANCH 7 35 ATOM 35 C LIG 1 -2.924 -3.259 -1.156 0.00 0.00 +0.120 C BRANCH 35 36 ATOM 36 N LIG 1 -2.184 -4.249 -0.351 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -2.588 -4.230 1.066 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -3.834 -5.098 1.162 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -3.775 -6.012 -0.054 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -2.498 -5.620 -0.782 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 7 35 TORSDOF 5